dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)

C24H12F8I2N6O2 — CID 139196794

IUPACdipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)
SMILESO/N=C/c1c(F)c(F)c(I)c(F)c1F.O/N=C/c1c(F)c(F)c(I)c(F)c1F.c1cncc(/N=N/c2cccnc2)c1
InChIInChI=1S/C10H8N4.2C7H2F4INO/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;2*8-3-2(1-13-14)4(9)6(11)7(12)5(3)10/h1-8H;2*1,14H/b14-13+;2*13-1+
InChIKeyJKAAAYWDFSOHDZ-AYCZEQSRSA-N
MW822.19 g/mol
LogP8.20
Rot. Bonds4

About dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)

dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine) (PubChem CID 139196794) has the molecular formula C24H12F8I2N6O2 and a molecular weight of 822.19 g/mol. Its IUPAC name is dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine).

Molecular Properties

Compound Namedipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)
PubChem CID139196794
Molecular FormulaC24H12F8I2N6O2
Molecular Weight822.19 g/mol
Exact Mass821.90
IUPAC Namedipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)
SMILESO/N=C/c1c(F)c(F)c(I)c(F)c1F.O/N=C/c1c(F)c(F)c(I)c(F)c1F.c1cncc(/N=N/c2cccnc2)c1
InChIInChI=1S/C10H8N4.2C7H2F4INO/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;2*8-3-2(1-13-14)4(9)6(11)7(12)5(3)10/h1-8H;2*1,14H/b14-13+;2*13-1+
InChIKeyJKAAAYWDFSOHDZ-AYCZEQSRSA-N
XLogP8.20
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.19
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
butanedioic acid;dipyridin-3-yldiazene
CID 139196676
tetrakis(1,2,4,5-tetrafluoro-3,6-diiodobenzene);bis(3-[4-[1,2,2-tris(4-pyridin-3-ylphenyl)ethenyl]phenyl]pyridine)
CID 139196956
bis(bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene);bis(dipyridin-4-yldiazene)
CID 139043462
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
2-(pyridin-3-yldiazenyl)benzaldehyde
CID 87139690
(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
CID 11355925
N'-pyridin-3-ylmethanimidamide
CID 55290401
2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 177490373
[methyl-(pyridin-3-yldiazenyl)amino]methanol
CID 13099386
3-(5-fluoro-2-iodo-3-pyridin-3-ylphenyl)pyridine
CID 46316519
2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
CID 173406298

Frequently Asked Questions

What is the IUPAC name of dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)?
The IUPAC name of dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine) (CID 139196794) is dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine).
What is the SMILES notation for dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)?
The canonical SMILES for dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine) is O/N=C/c1c(F)c(F)c(I)c(F)c1F.O/N=C/c1c(F)c(F)c(I)c(F)c1F.c1cncc(/N=N/c2cccnc2)c1.
What is the InChIKey of dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)?
The InChIKey is JKAAAYWDFSOHDZ-AYCZEQSRSA-N. The full InChI is InChI=1S/C10H8N4.2C7H2F4INO/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;2*8-3-2(1-13-14)4(9)6(11)7(12)5(3)10/h1-8H;2*1,14H/b14-13+;2*13-1+.
What are the key properties of dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine)?
dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine) has a molecular weight of 822.19 g/mol, XLogP of 8.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-3-yldiazene;bis((NE)-N-[(2,3,5,6-tetrafluoro-4-iodophenyl)methylidene]hydroxylamine) is sourced from PubChem (CID 139196794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).